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	hartrees
Energy at 0K	-264.204536
Energy at 298.15K	-264.208398
Nuclear repulsion energy	179.066346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3091	2957	0.00
2	A_g	2386	2282	0.00
3	A_g	1467	1403	0.00
4	A_g	1383	1323	0.00
5	A_g	1044	998	0.00
6	A_g	977	934	0.00
7	A_g	516	493	0.00
8	A_g	220	210	0.00
9	A_u	3155	3018	0.00
10	A_u	1205	1153	0.01
11	A_u	767	733	3.23
12	A_u	403	385	0.00
13	A_u	78	74	22.60
14	B_g	3137	3001	0.00
15	B_g	1311	1254	0.00
16	B_g	1028	983	0.00
17	B_g	363	348	0.00
18	B_u	3100	2965	1.64
19	B_u	2387	2283	14.83
20	B_u	1472	1409	17.53
21	B_u	1284	1228	1.69
22	B_u	950	909	4.47
23	B_u	525	502	2.11
24	B_u	128	122	23.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.644	0.000
C2	-0.423	-0.644	0.000
C3	-0.423	1.831	0.000
C4	0.423	-1.831	0.000
N5	1.110	-2.765	0.000
N6	-1.110	2.765	0.000
H7	1.070	0.671	0.880
H8	1.070	0.671	-0.880
H9	-1.070	-0.671	0.880
H10	-1.070	-0.671	-0.880

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5404	1.4582	2.4747	3.4766	2.6169	1.0928	1.0928	2.1756	2.1756
C2	1.5404		2.4747	1.4582	2.6169	3.4766	2.1756	2.1756	1.0928	1.0928
C3	1.4582	2.4747		3.7588	4.8446	1.1588	2.0857	2.0857	2.7305	2.7305
C4	2.4747	1.4582	3.7588		1.1588	4.8446	2.7305	2.7305	2.0857	2.0857
N5	3.4766	2.6169	4.8446	1.1588		5.9580	3.5470	3.5470	3.1478	3.1478
N6	2.6169	3.4766	1.1588	4.8446	5.9580		3.1478	3.1478	3.5470	3.5470
H7	1.0928	2.1756	2.0857	2.7305	3.5470	3.1478		1.7605	2.5265	3.0794
H8	1.0928	2.1756	2.0857	2.7305	3.5470	3.1478	1.7605		3.0794	2.5265
H9	2.1756	1.0928	2.7305	2.0857	3.1478	3.5470	2.5265	3.0794		1.7605
H10	2.1756	1.0928	2.7305	2.0857	3.1478	3.5470	3.0794	2.5265	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.208	C1	C2	H9	110.268
C1	C2	H10	110.268	C1	C3	N6	179.131
C2	C1	C3	111.208	C2	C1	H7	110.268
C2	C1	H8	110.268	C2	C4	N5	179.131
C3	C1	H7	108.841	C3	C1	H8	108.841
C4	C2	H9	108.841	C4	C2	H10	108.841
H7	C1	H8	107.312	H9	C2	H10	107.312

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B1B95/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.108
2	C	-0.108
3	C	0.116
4	C	0.116
5	N	-0.458
6	N	-0.458
7	H	0.226
8	H	0.226
9	H	0.226
10	H	0.226

	x	y	z
x	7.255	-2.505	0.000
y	-2.505	10.318	0.000
z	0.000	0.000	5.439

<r²>	209.768
(<r²>)^1/2	14.483

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)